(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol

C6H12O5 — CID 154684690

IUPAC(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
SMILESOCC1OC(O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5?,6?/m1/s1
InChIKeyRJDIFQMDPPUATQ-GWVKGMJFSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol

(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol (PubChem CID 154684690) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
PubChem CID154684690
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
SMILESOCC1OC(O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5?,6?/m1/s1
InChIKeyRJDIFQMDPPUATQ-GWVKGMJFSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
3-(tert-butylamino)-7-(hydroxymethyl)oxepane-2,4,6-triol
CID 91280275
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59914550
CID 59914550
CID 59996261
CID 59996261
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
CID 123868889
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol?
The IUPAC name of (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol (CID 154684690) is (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol.
What is the SMILES notation for (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol?
The canonical SMILES for (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol is OCC1OC(O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol?
The InChIKey is RJDIFQMDPPUATQ-GWVKGMJFSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5?,6?/m1/s1.
What are the key properties of (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol?
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol is sourced from PubChem (CID 154684690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).